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3PO

CAT: 0013-GTR19155645-07Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155645-07Size:200 mg
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Description
3PO is a small-molecule inhibitor of PFKFB3 (IC50: 22.9 μM), inhibiting the proliferation of several human malignant hematopoietic and adenocarcinoma cell lines (IC50: 1.4-24 μM) . It suppresses glucose uptake, and decreases the intracellular concentration of Fru-2,6-BP, lactate, ATP, NAD+, and NADH.
CAS Number
18550-98-6
Purity
>98% (HPLC)
Solubility
DMSO:113mg/ml (537.51mM) ; Ethanol:11 mg/mL (52.32 mM) ; Water:Insoluble
Smiles
O=C (/C=C/c1cnccc1) c1ccncc1
Molecular Formula
C13H10N2O
Molecular Weight
210.23
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(2E)-3-(3-Pyridinyl)-1-(4-pyridinyl)-2-propen-1-one

3PO is a member of the class of pyridines that is pyridine substituted by a 3-oxo-3-(pyridin-4-yl)prop-1-en-1-yl group at position 3. An inhibitor of PFKFB3 kinase, an enzyme with a key role in glycolysis. It has a role as an autophagy inducer, an EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor, an antineoplastic agent, an angiogenesis inhibitor and an apoptosis inducer. It is a member of pyridines and an enone.

CAS Number18550-98-6
PubChem CID5720233
IUPAC Name(E)-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one
Molecular FormulaC13H10N2O
Molecular Weight210.23
XLogP1.6
Topological Polar Surface Area42.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity257
SMILES
C1=CC(=CN=C1)/C=C/C(=O)C2=CC=NC=C2
InChI
InChI=1S/C13H10N2O/c16-13(12-5-8-14-9-6-12)4-3-11-2-1-7-15-10-11/h1-10H/b4-3+
InChIKey
UOWGYMNWMDNSTL-ONEGZZNKSA-N
Chemical Structure
2D Structure
2D structure of (2E)-3-(3-Pyridinyl)-1-(4-pyridinyl)-2-propen-1-one
CAS: 18550-98-6
CID: 5720233
Formula: C13H10N2O
MW: 210.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.23
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass210.079312947
Monoisotopic Mass210.079312947
Topological Polar Surface Area42.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity257
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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